Geometry & MOs

Info

ID:	218839
PubChem CID:	85090050
Reduced:	Cl2O4N5C20H25 (1)
Stoich.:	A2B4C5D20E25 (1)
Weight, g/mol:	518.145417
ΔH_f, kcal/mol:	-102.26
Dipole, Da:	9.8
IP(EA), eV:	-9.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl (2-oxo-1,2-diphenylethyl) hydrogen phosphate

Drug info:

PubChemData

Smile

CCNC(=O)C1=NOC(=N1)CCC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations